SCHEMBL4124188

SCHEMBL4124188

C[C@@H](CC(=O)O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.50
HSD17B10 Q99714 4/20 0.50
CYP3A4 P08684 3/20 0.50
ALOX15 P16050 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALOX12 P18054 2/20 0.50
HIF1A Q16665 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.44
THRB P10828 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CASP1 P29466 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5861572 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL2705958 1.00 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL10491008 0.93 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL22868105 0.85 CA12 (0.46) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL4124134 0.85 TSHR (0.47) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL4124137 0.85 TSHR (0.47) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL2386329 0.83 TSHR (0.46) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL6257260 0.83 HIF1A (0.44) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL22950649 0.83 TSHR (0.46) ALDH1A1TSHRHSD17B10CYP3A4ALOX15
SCHEMBL5860329 0.83 MEN1 (0.47) ALDH1A1TSHRHSD17B10CYP3A4ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492275-B1 NOVEL RUTHENIUM CARBONYL COMPLEX HAVING A TRIDENTATE LIGAND AND MANUFACTURING METHOD AND USAGE THEREFOR TAKASAGO PERFUMERY CO LTD (JP) 2017-08-23 EP disclosed
EP-1970360-B1 Method for producing alcohols TAKASAGO PERFUMERY CO LTD (JP) 2016-08-31 EP disclosed
EP-2492275-A1 NOVEL RUTHENIUM CARBONYL COMPLEX HAVING A TRIDENTATE LIGAND AND MANUFACTURING METHOD AND USAGE THEREFOR Takasago International Corporation (JP) 2012-08-29 EP disclosed
US-7569735-B2 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL (JP) 2009-08-04 US disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL CORPORATION 2008-09-18 US disclosed
EP-1970360-A1 Method for producing alcohols Takasago International Corporation (JP) 2008-09-17 EP disclosed
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN disclosed
US-7232923-B2 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines IMPERIAL INNOVATIONS LIMITED (GB) 2007-06-19 US disclosed
US-7232923-B2 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines IMPERIAL INNOVATIONS LIMITED (GB) 2007-06-19 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-7145030-B2 Production method for optically active N-aryl-β-amino acid compounds AJINOMOTO CO., INC. (JP) 2006-12-05 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
US-20040267043-A1 Production method for optically active N-aryl-beta-amino acid compounds AJINOMOTO CO., INC. (JP) 2004-12-30 US disclosed
EP-1471050-A1 Production method for optically active N-aryl-beta-amino acid compounds Ajinomoto Co., Inc. (JP) 2004-10-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885TSHR 738/4885HSD17B10 901/4885
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature LPXN, LIPE, MLX ALDH1A1 1512/4885TSHR 1192/4885HSD17B10 981/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885TSHR 738/4885HSD17B10 901/4885
US-20040267043-A1 Production method for optically active N-aryl-beta-amino acid compounds AADAT, AADAC, DDC ALDH1A1 588/4885TSHR 3165/4885HSD17B10 328/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.